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Compound Detail

CHEMBL3421987

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O=C(c1ccccc1F)N1CCn2c(nnc2-c2ccccn2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3421987
Phase Preclinical
Structure Type MOL
InChI Key VYHBXLMWDCTTBL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

323.3
MW (Da)
2.14
ALogP
5
HBA
0
HBD
63.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14FN5O
MW 323.33
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -2.20

Literature References

PubMed DOI Target Context # Activities
25738882 10.1021/jm5017413 Neuromedin-K receptor 2
25738882 10.1021/jm5017413 No relevant target 1

Data from ChEMBL 36 via Core Engine